Identification CAS Number 130-84-7 Name Dimethyl diacetoxyfumarate Synonyms (E)-2,3-Bis(acetyloxy)-2-butenedioic acid dimethyl ester DAF Molecular Structure SMILES O=C(C)OC(=C(OC(C)=O)C(=O)OC)C(=O)OC StdInChI InChI=1S/C10H12O8/c1-5(11)17-7(9(13)15-3)8(10(14)16-4)18-6(2)12/h1-4H3/b8-7+ StdInChIKey NKGXGEHGPYWBDK-BQYQJAHWSA-N Molecular Formula C10H12O8 Molecular Weight 260.20 Properties Appearance White crystal Flash Point 140.12 °C Melting Point 102-105 ºC Boiling Point 322.823 °C at 760 mmHg Density 1.296 g/ml Safety Data Symbol GHS07 Signal Word…
Sodium taurocholate hydrate CAS 145-42-6
Identification CAS Number 145-42-6 Name Sodium taurocholate hydrate Synonyms 2-[(3α,7α,12α-Trihydroxy-24-oxo-5β-cholan-24-yl)amino]ethanesulfonic acid 3α,7α,12α-Trihydroxy-5β-cholan-24-oic acid N-(2-sulfoethyl)amide Taurocholic acid sodium salt hydrate Molecular Structure SMILES [Na+].[O-]S(=O)(=O)CCNC(=O)CC[C@@H](C)[C@H]4CC[C@H]3[C@H]2[C@@H]([C@@]1([C@@H](C[C@H](O)CC1)C[C@H]2O)C)C[C@H](O)[C@@]34C StdInChI InChI=1S/C26H45NO7S.Na/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29;/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34);/q;+1/p-1/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-;/m1./s1 StdInChIKey JAJWGJBVLPIOOH-IZYKLYLVSA-M EINECS Number 205-653-7 MDL Number MFCD00150819 Molecular Formula C26H44NNaO7S·xH2O Molecular Weight 537.68 Properties Appearance Off-white to white powder Melting Point 230 ºC Solubility >250 G/L (20 ºC) in water…
Glycocholic acid CAS 475-31-0
Identification CAS Number 475-31-0 Name Glycocholic acid Synonyms 3α,7α,12α-Trihydroxy-5β-cholan-24-oic acid N-(carboxymethyl)amide Cholylglycine N-(3α,7α,12α-Trihydroxy-24-oxocholan-24-yl)-glycine molecular structure SMILES C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C StdInChI: InChI=1S/C26H43NO6/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33)/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-/m1/s1 StdInChIKey RFDAIACWWDREDC-FRVQLJSFSA-N Beilstein Registry Number 2955826 MDL Number MFCD06408004 Molecular Formula C26H43NO6 Molecular Weight 465.63 Properties Appearance Off-white to white solid Boiling Point 692.042 °C at 760 mmHg Flash Point 372.334 °C Density 1.213 g/ml Safety…
Tris(2-methylphenyl)phosphine CAS 6163-58-2
Identification CAS Number 6163-58-2 Name Tris(2-methylphenyl)phosphine Synonyms Phosphine, tri-o-tolyl- phosphine, tris(2-methylphenyl)- tri(2-methylphenyl)phosphine Tri-o-tolylphosphine Tris(2-methylphenyl)phosphine tris(o-tolyl)phosphine Phosphine, tri-o-tolyl- (8CI) Phosphine, tris (2-methylphenyl)- tri(o-tolyl)phosphine Tri-ortho-toylphosphine Tri-o-Tolyl phosphine Trio-tolylphosphine Tri-o-tolylphosphine99% tris(2-methylphenyl)phosphane Tris(2-tolyl)phosphine Molecular Structure SMILES c3(c(P(c1ccccc1C)c2ccccc2C)cccc3)C StdInChI InChI=1S/C21H21P/c1-16-10-4-7-13-19(16)22(20-14-8-5-11-17(20)2)21-15-9-6-12-18(21)3/h4-15H,1-3H3 StdInChIKey COIOYMYWGDAQPM-UHFFFAOYSA-N MDL Number MFCD00008514 Molecular Formula C21H21P Molecular Weight 304.37 Properties Appearance Off-white solid Melting Point 120-124 ºC Flash…
Lercanidipine HCL CAS 132866-11-6
In APIs
Identification CAS Number 132866-11-6 Name Lercanidipine HCL Synonyms 1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic acid 2-[(3,3-diphenylpropyl)methylamino]-1,1-dimethylethyl methyl ester hydrochloride Zanidip Lerdip Molecular Structure SMILES Cl.[O-][N+](=O)c1cccc(c1)C4C(=C(/NC(=C4C(=O)OC(C)(C)CN(CCC(c2ccccc2)c3ccccc3)C)C)C)C(=O)OC StdInChI InChI=1S/C36H41N3O6.ClH/c1-24-31(34(40)44-6)33(28-18-13-19-29(22-28)39(42)43)32(25(2)37-24)35(41)45-36(3,4)23-38(5)21-20-30(26-14-9-7-10-15-26)27-16-11-8-12-17-27;/h7-19,22,30,33,37H,20-21,23H2,1-6H3;1H StdInChIKey WMFYOYKPJLRMJI-UHFFFAOYSA-N Molecular Formula C36H41N3O6.HCL Molecular Weight 648.19 Properties Appearance Light yellow to yellow powder Melting Point 185-190°C Boiling Point 712.5 °C at 760 mmHg Flash Point 384.7 °C Safety Data Symbol GHS06…
Glycopyrrolate CAS 596-51-0
In APIs
Identification CAS Number 596-51-0 Name Glycopyrrolate Synonyms α-cyclopentylmandelic acid ester with 3-hydroxy-1,1-dimethylpyrrolidinium bromide 1-methyl-3-pyrrolidyl α-cyclopentylmandelate methobromide 1-methyl-3-pyrrolidyl α-phenyl-α-cyclopentylglycolate methobromide 3-(2-phenyl-2-cyclopentylglycoloyloxy)-1,1-dimethylpyrrolidinium bromide 3-hydroxy-1,1-dimethylpyrrolidinium bromide α-cyclopentylmandelate AHR-504 Copyrrolate Gastrodyn NSC 250836 NSC 251251 NSC 251252 NVA-237 glycopyrronium bromide Molecular Structure SMILES O=C(OC1CC[N+](C)(C)C1)C(O)(c2ccccc2)C3CCCC3 StdInChI InChI=1S/C19H28NO3/c1-20(2)13-12-17(14-20)23-18(21)19(22,16-10-6-7-11-16)15-8-4-3-5-9-15/h3-5,8-9,16-17,22H,6-7,10-14H2,1-2H3/q+1 StdInChIKey ANGKOCUUWGHLCE-UHFFFAOYSA-N EINECS 209-887-0 Molecular Formula C19H28NO3.Br Molecular Weight 398.34 MDL Number MFCD00072137…
Boc-L-AcPEC CAS 151907-80-1
Identification CAS Number 151907-80-1 Name Boc-L-AcPEC Synonyms (1R,4S)-4-(tert-Butoxycarbonylamino)cyclopent-2-ene-1-carboxylic acid (1R,4S)-4-[[(1,1-Dimethylethoxy)carbonyl]amino]-2-cyclopentene-1-carboxylic acid Molecular Structure SMILES O=C(O)[C@H]1C=C/[C@@H](NC(=O)OC(C)(C)C)C1 StdInChI InChI=1S/C11H17NO4/c1-11(2,3)16-10(15)12-8-5-4-7(6-8)9(13)14/h4-5,7-8H,6H2,1-3H3,(H,12,15)(H,13,14)/t7-,8+/m0/s1 StdInChIKey WOUNTSATDZJBLP-JGVFFNPUSA-N Molecular Formula C11H17NO4 Molecular Weight 227.26 Beilstein Registry Number 6177417 MDL Number MFCD00211288 Properties Appearance White powder Optical Activity [α]20/D +48.5±2°, c = 1% in methanol Refractive Index 1.515 Boiling Point 382.284 °C at 760 mmHg Flash…
Sorafenib intermediate CAS 327-78-6
Identification CAS Number 327-78-6 Name 4-Chloro-3-(trifluoromethyl)phenyl isocyanate Synonyms Intermediate of Sorafenib Molecular Structure SMILES FC(F)(F)c1cc(N=C=O)ccc1Cl StdInChI InChI=1S/C8H3ClF3NO/c9-7-2-1-5(13-4-14)3-6(7)8(10,11)12/h1-3H StdInChIKey NBJZEUQTGLSUOB-UHFFFAOYSA-N Molecular Formula C8H3ClF3NO Molecular Weight 221.56 MDL Number MFCD00013874 Properties Appearance White to off-white crystal Refractive Index 1.487 Boiling Point 86-90 °C/14 mmHg(lit.) Melting Point 40-42 °C(lit.) Flash Point 99 °C Density 1.4 g/mL Safety Data Symbol GHS07 Signal Word Warning Hazard…
Tandutinib intermediate CAS 288383-71-1
Identification CAS Number 288383-71-1 Name 4-chloro-6-methoxy-7-(3-(piperidin-1-yl)propoxy)quinazoline Synonyms Tandutinib intermediate MLN518 CT53518 Molecular Structure SMILES Clc3ncnc2cc(OCCCN1CCCCC1)c(OC)cc23 StdInChI InChI=1S/C17H22ClN3O2/c1-22-15-10-13-14(19-12-20-17(13)18)11-16(15)23-9-5-8-21-6-3-2-4-7-21/h10-12H,2-9H2,1H3 StdInChIKey QMPMEXBHMIYNGL-UHFFFAOYSA-N Molecular Formula C17H22ClN3O2 Molecular Weight 335.83 Properties Appearance White or almost white crystalline powder Refractive Index n20/D1.583(lit.) Boiling Point 485.69 °C at 760 mmHg Flash Point 247.537 °C Density 1.215 g/ml Safety Data Symbol GHS07 Signal…